orbital_charges     :real:2:4,8
  0.125046998348269E+001  0.993341479857925E+000  0.988563681184708E+000
  0.995619111818238E+000  0.126727350116519E+001  0.990332832772503E+000
  0.944365809449735E+000  0.993691850211624E+000  0.895721332083528E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.956464821956093E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.890994249836307E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.998301593634687E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.873521178397113E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.961338574149655E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,8
 -0.184572848173411E+000  0.445268995327033E-001 -0.659197436799012E-001
 -0.256730723858067E+000 -0.111771172021831E+000  0.263331381340144E-001
  0.202569093058041E-001  0.320415982231118E-001  0.280386723872481E-001
 -0.548435608047175E-002  0.262652414710713E-001  0.323307466938058E-001
  0.190260113025592E+000  0.121937868775715E+000 -0.959536532058757E-001
  0.632833555661009E-001 -0.350387026060848E-001  0.308987404128099E-001
  0.122700929804425E+000 -0.877803843585001E-001  0.608836036755158E-001
  0.502866204100277E-001  0.981865098381504E-002 -0.166115044176171E-001
mermin_energy       :real:0:
 -0.559086254655937E+001
end_coords          :real:2:3,8
  0.188972598857892E+000  0.566917796573677E-005  0.160795839505186E+001
  0.188972598857892E+000 -0.566917796573677E-005 -0.123001319733608E+001
  0.000000000000000E+000  0.193503783833307E+001  0.197533624503951E+001
  0.188972598857892E+000 -0.193503783833307E+001 -0.235328144275530E+001
  0.148682884890994E+001  0.778561438116551E+000 -0.197532490668358E+001
 -0.186477404662573E+001  0.115650663583234E+001 -0.216429750554148E+001
  0.148682884890994E+001 -0.115650663583234E+001  0.197532490668358E+001
 -0.186477404662573E+001 -0.778561438116551E+000  0.235327010439937E+001
